Glycoside
GD024065
Name:
LETHEDIOSIDE BFormula:
C30H36O16Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 225.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD16108
Formula: C19H18O7
Smiles:
COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
